Geometry & MOs

Info

ID:	59242
PubChem CID:	24775815
Reduced:	SN2O2H20C21 (1)
Stoich.:	AB2C2D20E21 (1)
Weight, g/mol:	412.168434
ΔH_f, kcal/mol:	-9.92
Dipole, Da:	4.26
IP(EA), eV:	-8.73(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dichloroaniline;8-(2-pyridin-2-ylethoxy)octan-1-ol

Drug info:

PubChemData

Smile

C1CCC(C1)C2=NC(=C(S2)C(=O)N)C3=CC=C(C=C3)OC4=CC=CC=C4

DOS

IR

Vibrations